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Authordc.contributor.authorSingh, Sobhit
Authordc.contributor.authorRomero, Aldo H.
Authordc.contributor.authorMella Riquelme, José
Authordc.contributor.authorEremeev, Vitalie
Authordc.contributor.authorMuñoz, Enrique
Authordc.contributor.authorAlexandrova, Anastassia N.
Authordc.contributor.authorRabe, Karin M.
Authordc.contributor.authorVanderbilt, David
Authordc.contributor.authorMuñoz Sáez, Francisco Javier
Admission datedc.date.accessioned2022-07-15T14:31:25Z
Available datedc.date.available2022-07-15T14:31:25Z
Publication datedc.date.issued2022
Cita de ítemdc.identifier.citationNPJ Quantum Materials (2022) 37es_ES
Identifierdc.identifier.other10.1038/s41535-022-00446-6
Identifierdc.identifier.urihttps://repositorio.uchile.cl/handle/2250/186756
Abstractdc.description.abstractA two-dimensional material - Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature T-c estimated in the 47-48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic T-c is ascribed to the presence of strong electron-phonon coupling and large density of states at the Fermi level. This system is obtained after replacing the chemically active boron-boron surface layers in a MgB2 slab by chemically inactive boron-carbon layers. Hence, the surfaces of this material are inert. Our calculations confirm the stability of 2D Mg2B4C2. We also find that the key features of this material remain essentially unchanged when its thickness is increased by modestly increasing the number of inner MgB2 layers.es_ES
Patrocinadordc.description.sponsorshipomision Nacional de Investigacion Cientifica y Tecnologica (CONICYT) CONICYT FONDECYT 1191353 3200697 1180175 1190361 Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT) CONICYT PIA/BASAL AFB180001 Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT) PIA/Anillo ACT192023 Office of Naval Research N00014-21-1-2107 N00014-19-1-2073 N00014-16-1-2951 National Science Foundation (NSF) National Research Foundation of Korea DMR-1954856 National Science Foundation (NSF) NSF - Office of the Director (OD) CHE-1351968 National Science Foundation (NSF) ACI-1053575 United States Department of Energy (DOE) DE-SC0020353 DE-SC0021375 Texas Advances Computer Centeres_ES
Lenguagedc.language.isoenes_ES
Publisherdc.publisherNaturees_ES
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 United States*
Link to Licensedc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/us/*
Sourcedc.sourceNPJ Quantum Materialses_ES
Keywordsdc.subjectInitio molecular-dynamicses_ES
Keywordsdc.subjectTotal-energy calculationses_ES
Keywordsdc.subjectT-Ces_ES
Keywordsdc.subject1ST-principles predictiones_ES
Keywordsdc.subjectTransition-temperaturees_ES
Keywordsdc.subjectElectronic-srtucturees_ES
Keywordsdc.subjectLattice-vibrationses_ES
Keywordsdc.subjectMGB2es_ES
Keywordsdc.subjectLanthanumes_ES
Títulodc.titleHigh-temperature phonon-mediated superconductivity in monolayer Mg2B4C2es_ES
Document typedc.typeArtículo de revistaes_ES
dc.description.versiondc.description.versionVersión publicada - versión final del editores_ES
dcterms.accessRightsdcterms.accessRightsAcceso abiertoes_ES
Catalogueruchile.catalogadorapces_ES
Indexationuchile.indexArtículo de publícación WoSes_ES


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Attribution-NonCommercial-NoDerivs 3.0 United States
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 United States